1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide

C20H24BrClN2 — CID 18613652

IUPAC1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
SMILESBr.Clc1ccccc1N1CCN(CC2CC2c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2.BrH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16;/h1-9,17-18H,10-15H2;1H
InChIKeyLDLFHNOACANWOE-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide

1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide (PubChem CID 18613652) has the molecular formula C20H24BrClN2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
PubChem CID18613652
Molecular FormulaC20H24BrClN2
Molecular Weight407.78 g/mol
Exact Mass406.08
IUPAC Name1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
SMILESBr.Clc1ccccc1N1CCN(CC2CC2c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2.BrH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16;/h1-9,17-18H,10-15H2;1H
InChIKeyLDLFHNOACANWOE-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The IUPAC name of 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide (CID 18613652) is 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The canonical SMILES for 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide is Br.Clc1ccccc1N1CCN(CC2CC2c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
The InChIKey is LDLFHNOACANWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2.BrH/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)15-17-14-18(17)16-6-2-1-3-7-16;/h1-9,17-18H,10-15H2;1H.
What are the key properties of 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide?
1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide has a molecular weight of 407.78 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide is sourced from PubChem (CID 18613652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).